3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one

C13H26N2O2 — CID 103021618

IUPAC3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
SMILESCNC1(C)CCN(C(=O)CC(C)(C)OC)CC1
InChIInChI=1S/C13H26N2O2/c1-12(2,17-5)10-11(16)15-8-6-13(3,14-4)7-9-15/h14H,6-10H2,1-5H3
InChIKeyOOEKUMBXGKHUOX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds4

About 3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one

3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one (PubChem CID 103021618) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
PubChem CID103021618
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
SMILESCNC1(C)CCN(C(=O)CC(C)(C)OC)CC1
InChIInChI=1S/C13H26N2O2/c1-12(2,17-5)10-11(16)15-8-6-13(3,14-4)7-9-15/h14H,6-10H2,1-5H3
InChIKeyOOEKUMBXGKHUOX-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-methoxy-3-methylbutanoyl)piperidin-4-yl]propanoic acid
CID 103018528
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 115304384
2-cyclopentyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304327
1-[4-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 115304579
2-cyclobutyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103165081
1-(4-hydroxyiminopiperidin-1-yl)-3-methoxy-3-methylbutan-1-one
CID 103020751
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methoxy-3-methylbutan-1-one
CID 103021623
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one
CID 115304623
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 115304493
1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304923
2-[4-(3-methoxy-3-methylbutanoyl)piperazin-1-yl]propanethioamide
CID 103020435
2-(4-hydroxyphenyl)-1-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304431

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one?
The IUPAC name of 3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one (CID 103021618) is 3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one?
The canonical SMILES for 3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one is CNC1(C)CCN(C(=O)CC(C)(C)OC)CC1.
What is the InChIKey of 3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one?
The InChIKey is OOEKUMBXGKHUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,17-5)10-11(16)15-8-6-13(3,14-4)7-9-15/h14H,6-10H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one?
3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-[4-methyl-4-(methylamino)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 103021618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).